Structure of PDB 5s4m Chain A Binding Site BS03

Receptor Information
>5s4m Chain A (length=438) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFN
TFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAA
NNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFT
SLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDC
AFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNV
DLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPAN
QMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTG
FKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYA
KRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVD
Ligand information
Ligand IDWV4
InChIInChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3
InChIKeyUTXGKZQFKXUXRX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cc(NCC)c(cc1S(C)(=O)=O)F
OpenEye OEToolkits 2.0.7CCNc1ccc(cc1F)S(=O)(=O)C
CACTVS 3.385CCNc1ccc(cc1F)[S](C)(=O)=O
FormulaC9 H12 F N O2 S
NameN-ethyl-2-fluoro-4-(methylsulfonyl)aniline
ChEMBL
DrugBank
ZINCZINC000230840511
PDB chain5s4m Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s4m Comprehensive Analysis of Binding Sites in Tubulin.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Q15 N18 A19 E22 Y83 N228
Binding residue
(residue number reindexed from 1)		Q15 N18 A19 E22 Y83 N228
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0015630 microtubule cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5s4m, PDBe:5s4m, PDBj:5s4m
PDBsum5s4m
PubMed33951246
UniProtP81947|TBA1B_BOVIN Tubulin alpha-1B chain

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